1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine

C12H16F3NO — CID 82006421

IUPAC1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1OCC(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-8(2)12-9(13)5-4-6-10(12)17-7-11(14)15/h4-6,8,11,16H,3,7H2,1-2H3
InChIKeyNVTZYXNDNDHLFO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine

1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine (PubChem CID 82006421) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
PubChem CID82006421
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1OCC(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-8(2)12-9(13)5-4-6-10(12)17-7-11(14)15/h4-6,8,11,16H,3,7H2,1-2H3
InChIKeyNVTZYXNDNDHLFO-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788452
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
CID 43285741
1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 81314227
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine (CID 82006421) is 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1OCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is NVTZYXNDNDHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16-8(2)12-9(13)5-4-6-10(12)17-7-11(14)15/h4-6,8,11,16H,3,7H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine?
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 82006421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).